Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8F9SNY1M73
EPA CompTox DTXSID10181516

Structure

InChI Key YTFXKURWTLWPKK-UHFFFAOYSA-N
Smiles O=C1NCNC(=O)N1
InChI
InChI=1S/C3H5N3O2/c7-2-4-1-5-3(8)6-2/h1H2,(H3,4,5,6,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H5N3O2
Molecular Weight 115.04
AlogP -0.62
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Polar Surface Area 77.21
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 27032-78-6
NORMAN SUSDAT
FDA SRS 8F9SNY1M73
PubChem 33674
ChemSpider 31056.0